K272-1252 Screening compound: 10-(4-bromophenyl)-N~13~-(2,4-dimethylphenyl)-4-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

K272-1252 Screening compound: 10-(4-bromophenyl)-N~13~-(2,4-dimethylphenyl)-4-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
K272-1252 Screening compound: 10-(4-bromophenyl)-N~13~-(2,4-dimethylphenyl)-4-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K272-1252
10-(4-bromophenyl)-N~13~-(2,4-dimethylphenyl)-4-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K272-1252

Molecular Formula

C27H26BrN3O3S (C27 H26 BrN3 O3 S)

Compound Name

10-(4-bromophenyl)-N~13~-(2,4-dimethylphenyl)-4-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

IUPAC name

10-(4-bromophenyl)-N-(24-dimethylphenyl)-4-methoxy-9-methyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxamide

SMILES

CC(C(C1N2)C(Nc3c(C)cc(C)cc3)=O)(N(c(cc3)ccc3Br)C2=S)Oc(cc2)c1cc2OC

InChI

InChI=1S/C27H26BrN3O3S/c1-15-5-11-21(16(2)13-15)29-25(32)23-24-20-14-19(33-4)10-12-22(20)34-27(23,3)31(26(35)30-24)18-8-6-17(28)7-9-18/h5-14,23-24H,1-4H3,(H,29,32)(H,30,35)

InChI Key

KRZNRQPSKCKLAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.247

Distribution Coefficient, logD

6.246

Water Solubility, LogSw

-5.42

Polar Surface Area

50.449

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with K272-1252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-1252?
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What is the minimum amount of K272-1252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-1252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-1252
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K272-1252 available by request